Comprehensive Characterization of the Self-Folding Cavitand Dynamics.
Cavitands
Conformational analysis
EXSY
Host-guest systems
Molecular dynamics
Journal
Chemistry (Weinheim an der Bergstrasse, Germany)
ISSN: 1521-3765
Titre abrégé: Chemistry
Pays: Germany
ID NLM: 9513783
Informations de publication
Date de publication:
12 Jul 2021
12 Jul 2021
Historique:
received:
12
02
2021
pubmed:
22
4
2021
medline:
16
7
2021
entrez:
21
4
2021
Statut:
ppublish
Résumé
The conformational equilibria and guest exchange process of a resorcin[4]arene derived self-folding cavitand receptor have been characterized in detail by molecular dynamics simulations (MD) and
Identifiants
pubmed: 33881199
doi: 10.1002/chem.202100563
pmc: PMC8361935
doi:
Substances chimiques
Ethers, Cyclic
0
Resorcinols
0
cavitand
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
10099-10106Subventions
Organisme : Ministerio de Ciencia, Innovación y Universidades
ID : RYC2012-11112
Organisme : Ministerio de Ciencia, Innovación y Universidades
ID : CTQ2017-83587-P
Organisme : Ministerio de Ciencia, Innovación y Universidades
ID : RTI2018-101032-J-I00
Organisme : H2020 Marie Skłodowska-Curie Actions
ID : MSCA-IF-2014-EF-661160
Organisme : Agència de Gestió d'Ajuts Universitaris i de Recerca
ID : 2017-SGR-39
Organisme : Agència de Gestió d'Ajuts Universitaris i de Recerca
ID : 2017-SGR-1707
Informations de copyright
© 2021 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.
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